HMR 1826

Analyte Name

HMR 1826

CAS Number

148580-25-0

Molecular Formula

C41H42N2O21

Molecular Weight

898.78

Accurate Mass

898.23

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=C([N+]([O-])=O)C=C(COC(N[C@@H]3[C@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@]([H])(C(CO)=O)CC5=C(O)C(C(C(C=CC=C6OC)=C6C7=O)=O)=C7C(O)=C54)C3)=O)C=C2)O[C@@H]1C(O)=O

InChI

InChI=1S/C41H42N2O21/c1-14-30(46)19(42-41(56)60-13-15-6-7-22(20(8-15)43(57)58)63-40-37(53)35(51)36(52)38(64-40)39(54)55)11-25(61-14)62-24-10-16(21(45)12-44)9-18-27(24)34(50)29-28(32(18)48)31(47)17-4-3-5-23(59-2)26(17)33(29)49/h3-8,14,16,19,24-25,30,35-38,40,44,46,48,50-53H,9-13H2,1-2H3,(H,42,56)(H,54,55)/t14?,16-,19+,24+,25+,30-,35+,36+,37-,38+,40-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-(4-(((((2S,3S,4S,6R)-6-(((1S,3R)-5,12-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)carbamoyl)oxy)methyl)-2-nitrophenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat